3,5-DI-TERT-부틸-4-하이드록시아세토페논

3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone

HCID 616296CAS 14035-33-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: WGJPGMJLARWHRK-UHFFFAOYSA-N
분자식: C16H24O2
평균 분자량: 248.36 g/mol
단동위원소 질량: 248.17763001

개요

3,5-di-tert-Butyl-4-hydroxyacetophenone is an aromatic ketone.

이름 및 식별자

우선 이름: 3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone
IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
현지명: 3,5-DI-TERT-부틸-4-하이드록시아세토페논
영어명: 3,5-DI-TERT-BUTYL-4-HYDROXYACETOPHENONE
분자식: C16H24O2
분자량: 248.36

이름 및 동의어

3',5'-Bis(tert-butyl)-4'-hydroxyacetophenoneRefChem:484542622-532-814035-33-71-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone1-(3,5-Ditert-butyl-4-hydroxyphenyl)ethanone1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one3,5-di-tert-Butyl-4-hydroxyacetophenone3',5'-DI-TERT-BUTYL-4'-HYDROXYACETOPHENONEMFCD00017520Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethanone

이름 더 보기

3,5-DI-TERT-부틸-4-하이드록시아세토페논Dibutylhydroxyacetophenone1-(3,5-Di-tert-butyl-4-hydroxyphenyl)3,5-ditert-butyl-4-hydroxybenzenethylone1-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]ETHAN-1-ONE

NCGC00328186-013,5-Di-tert-butyl-4'-hydroxyacetophenoneCS-03127081-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]ethanone1-acetyl-3,5-bis(tert-butyl)-4-hydroxybenzeneCBMicro_019190SCHEMBL47718CHEMBL225642

데이터베이스 식별자

CAS: 14035-33-7
PubChem CID: 616296
DTXSID: DTXSID30346908
ChEMBL: CHEMBL225642
ChEBI: CHEBI:183278
EC Number: 622-532-8
Nikkaji: J1.402.513H

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 282

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 146 · 146-147°C
끓는 점: 308.2 · 308.2±37.0 °C(Predicted)
밀도: 0.982 · 0.982±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.76 · 8.76±0.40(Predicted)
물리적 상태: 고체
색상: 흰색에서 옅은 베이지까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2914500090
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

제조 방법

Preparation by reaction of acetic acid on 2,6-ditert-butylphenol with trifluoroacetic anhydride at r.t.

상·하류 제품 정보

상류 원료

하류 제품

1-Oxaspiro[2.5]octa-4,7-dien-6-one, 5,7-bis(1,1-dimethylethyl)-2,2-dimethyl-2,6-di-tert-Butyl-4-(2-hydroxyethyl)phenol 2-BROMO-1-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]ETHAN-1-ONE 2,6-디-t-부틸-4-에틸페놀

공급사31 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

연결된 노트

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